SCHEMBL3832059

SCHEMBL3832059

CC(C)(C)OC(=O)Nc1ccc(CBr)cc1F

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNQ4 P56696 3/20 0.50
KCNQ5 Q9NR82 3/20 0.50
CYP17A1 P05093 2/20 0.49
AKT1 P31749 1/20 0.41
AAK1 Q2M2I8 4/20 0.40
RXFP1 Q9HBX9 1/20 0.39
P2RY1 P47900 1/20 0.38
P2RX3 P56373 2/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
SOAT1 P35610 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22411949 0.89 KCNQ4 (0.47) KCNQ4KCNQ5CYP17A1AKT1AAK1
SCHEMBL31172075 0.89 KCNQ4 (0.47) KCNQ4KCNQ5CYP17A1AKT1AAK1
SCHEMBL28207323 0.87 CYP17A1 (0.50) KCNQ4KCNQ5CYP17A1AAK1RXFP1
SCHEMBL29468015 0.86 CYP17A1 (0.49) KCNQ4KCNQ5CYP17A1AAK1RXFP1
SCHEMBL16245955 0.85 CYP17A1 (0.48) KCNQ4KCNQ5CYP17A1RXFP1P2RX3
SCHEMBL6676620 0.84 SMN1; SMN2 (0.47) KCNQ4KCNQ5CYP17A1AKT1POLB
SCHEMBL27772977 0.84 CYP17A1 (0.47) KCNQ4KCNQ5CYP17A1AAK1RXFP1
SCHEMBL16246161 0.84 CYP17A1 (0.47) KCNQ4KCNQ5CYP17A1AKT1RXFP1
SCHEMBL22941806 0.83 KCNQ4 (0.45) KCNQ4KCNQ5CYP17A1AKT1
SCHEMBL27403362 0.83 KCNQ4 (0.47) KCNQ4KCNQ5CYP17A1AKT1AAK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4006033-A1 ADENOSINE RECEPTOR ANTAGONIST Xiamen Biotime Biotechnology Co., Ltd. (CN) 2022-06-01 EP disclosed
WO-2021018173-A1 ADENOSINE RECEPTOR ANTAGONIST 杭州阿诺生物医药科技有限公司 2021-02-04 WO disclosed
CN-109563043-A SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 葛兰素史密斯克莱知识产权发展有限公司 2019-04-02 CN disclosed
EP-1651214-B1 BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS WARNER LAMBERT CO (US) 2009-09-16 EP disclosed
US-7488748-B2 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-02-10 US disclosed
US-7273877-B2 5-substituted-4-[(substituted phenyl) amino]-2-pyridone derivatives WARNER-LAMBERT COMPANY, LLC (US) 2007-09-25 US disclosed
US-7160915-B2 N-methyl-substituted benzamidazoles WARNER-LAMBERT COMPANY, LLC (US) 2007-01-09 US disclosed
US-20060247225-A1 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2006-11-02 US disclosed
US-7078438-B2 N-(4 substituted phenyl)-anthranilic acid hydroxamate esters WARNER-LAMBERT COMPANY (US) 2006-07-18 US disclosed
EP-1651214-A2 BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2006-05-03 EP disclosed
US-20050026970-A1 N-methyl-substituted benzamidazoles WARNER-LAMBERT COMPANY 2005-02-03 US disclosed
WO-2005007616-A1 DIPHENYLAMINO KETONE DERIVATIVES AS MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-01-27 WO disclosed
EP-1467965-A1 N-(4-SUBSTITUTED PHENYL)-ANTHRANILIC ACID HYDROXAMATE ESTERS Warner-Lambert Company LLC (US) 2004-10-20 EP disclosed
EP-1467968-A1 N-(4-SUBSTITUTED PHENYL)-ANTHRANILIC ACID HYDROXAMATE ESTERS Warner-Lambert Company LLC (US) 2004-10-20 EP disclosed
WO-2004067510-A1 3,6-DISUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-08-12 WO disclosed
US-6770778-B2 MAP KINASE INHIBITORS; ANTICARCINOGENIC AGENTS; RESTENOSIS, PSORIASIS, AND ATHEROSCLEROSIS TREATMENT; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS PFIZER INC 2004-08-03 US disclosed
US-20040006245-A1 N-(4-substituted phenyl)-anthranilic acid hydroxamate esters REWCASTLE GORDON WILLIAM (NZ) 2004-01-08 US disclosed
US-20030232889-A1 N-(4-substituted phenyl)-anthranilic acid hydroxamate esters WARNET-LAMBERT COMPANY LLC 2003-12-18 US disclosed
WO-2003062191-A1 N-(4-SUBSTITUTED PHENYL)-ANTHRANILIC ACID HYDROXAMATE ESTERS WARNER-LAMBERT COMPANY LLC (US) 2003-07-31 WO disclosed
WO-2003062189-A1 N-(4-SUBSTITUTED PHENYL)-ANTHRANILIC ACID HYDROXAMATE ESTERS WARNER-LAMBERT COMPANY LLC (US) 2003-07-31 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030232889-A1 N-(4-substituted phenyl)-anthranilic acid hydroxamate esters AADAC, EGLN3, HCAR2 KCNQ4 2198/4885KCNQ5 2305/4885CYP17A1 326/4885
US-20050026970-A1 N-methyl-substituted benzamidazoles CYP3A5, CYP3A7, UGT2B7 KCNQ4 1313/4885KCNQ5 733/4885CYP17A1 310/4885
US-20060247225-A1 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 KCNQ4 1254/4885KCNQ5 785/4885CYP17A1 1199/4885
US-20040006245-A1 N-(4-substituted phenyl)-anthranilic acid hydroxamate esters HCAR2, EGLN3, AADAC KCNQ4 2217/4885KCNQ5 2331/4885CYP17A1 356/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.